(6-aminopurin-9-yl) acetate

C7H7N5O2 — CID 57119110

IUPAC(6-aminopurin-9-yl) acetate
SMILESCC(=O)On1cnc2c(N)ncnc21
InChIInChI=1S/C7H7N5O2/c1-4(13)14-12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10)
InChIKeyPCWOFNUOTSQTLE-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.62
Rot. Bonds1

About (6-aminopurin-9-yl) acetate

(6-aminopurin-9-yl) acetate (PubChem CID 57119110) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is (6-aminopurin-9-yl) acetate.

Molecular Properties

Compound Name(6-aminopurin-9-yl) acetate
PubChem CID57119110
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name(6-aminopurin-9-yl) acetate
SMILESCC(=O)On1cnc2c(N)ncnc21
InChIInChI=1S/C7H7N5O2/c1-4(13)14-12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10)
InChIKeyPCWOFNUOTSQTLE-UHFFFAOYSA-N
XLogP-0.62
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-aminopurin-9-yl)ethanone
CID 56662952
(6-aminopurin-9-yl) formate
CID 57250144
(6-aminopurin-9-yl) (2S)-2,6-diaminohexanoate
CID 174798774
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
sodium;(6-aminopurin-9-yl) phosphono hydrogen phosphate;hydride
CID 173307525
[4-[[(4-acetyloxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphoryl]oxymethyl]phenyl] acetate
CID 10054049
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl)urea
CID 57269838
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
[(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl acetate
CID 10825162

Frequently Asked Questions

What is the IUPAC name of (6-aminopurin-9-yl) acetate?
The IUPAC name of (6-aminopurin-9-yl) acetate (CID 57119110) is (6-aminopurin-9-yl) acetate.
What is the SMILES notation for (6-aminopurin-9-yl) acetate?
The canonical SMILES for (6-aminopurin-9-yl) acetate is CC(=O)On1cnc2c(N)ncnc21.
What is the InChIKey of (6-aminopurin-9-yl) acetate?
The InChIKey is PCWOFNUOTSQTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-4(13)14-12-3-11-5-6(8)9-2-10-7(5)12/h2-3H,1H3,(H2,8,9,10).
What are the key properties of (6-aminopurin-9-yl) acetate?
(6-aminopurin-9-yl) acetate has a molecular weight of 193.17 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopurin-9-yl) acetate is sourced from PubChem (CID 57119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).